{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.244638 0.755626 0.749587 ] [ 0.244638 0.244374 0.749587 ] [ 0.751236 0.251111 0.251441 ] [ 0.751236 0.748889 0.251441 ] [ 0.237785 0.5 0.077571 ] [ 0.779837 0.5 0.648413 ] [ 0.216291 0 0.351758 ] [ 0.713446 0 0.579893 ] [ 0.298587 0.5 0.418159 ] [ 0.727495 0.5 0.938094 ] [ 0.265831 0 0.070117 ] [ 0.292208 0 0.930764 ] [ 0.94962 0.5 0.872059 ] [ 0.522962 0.5 0.853227 ] [ 0.77971 0.808151 0.668923 ] [ 0.77971 0.191849 0.668923 ] [ 0.165567 0.5 0.571104 ] [ 0.414468 0 0.540753 ] [ 0.595777 0.5 0.437823 ] [ 0.856183 0 0.425235 ] [ 0.216777 0.312277 0.320648 ] [ 0.216777 0.687723 0.320648 ] [ 0.46205 0 0.166287 ] [ 0.041661 0 0.137216 ] [ 0.710585 0.5 0.082425 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "P" "P" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.21066302 "source-unit" "angstrom" } "b" { "source-value" 6.60446797 "source-unit" "angstrom" } "c" { "source-value" 8.92888877 "source-unit" "angstrom" } "beta" { "source-value" 90.55612935 "source-unit" "degree" } }